1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea

C16H19F3N4O — CID 119067663

IUPAC1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESCN(CCn1ccnc1)C(=O)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H19F3N4O/c1-22(9-10-23-8-7-20-12-23)15(24)21-6-5-13-3-2-4-14(11-13)16(17,18)19/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,21,24)
InChIKeyOEQZJOWTNRVYIQ-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.79
Rot. Bonds6

About 1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea

1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 119067663) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID119067663
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESCN(CCn1ccnc1)C(=O)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H19F3N4O/c1-22(9-10-23-8-7-20-12-23)15(24)21-6-5-13-3-2-4-14(11-13)16(17,18)19/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,21,24)
InChIKeyOEQZJOWTNRVYIQ-UHFFFAOYSA-N
XLogP2.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-4-(imidazol-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 119063880
1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 119059626
N-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 29152157
3-imidazol-1-yl-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 60595674
tert-butyl N-[[3-[[[3-imidazol-1-ylpropyl(methyl)carbamoyl]amino]methyl]phenyl]methyl]-N-methylcarbamate
CID 146146025
2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168
3-[2-(3-chlorophenyl)ethyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 108989264
3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-(2-imidazol-1-ylethyl)-1-methylurea
CID 125439891
4-(1,2,4-triazol-1-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 131888980
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 124852434
1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine
CID 166246765
3-(2,6-dimethyl-4-pyridinyl)-1-(2-imidazol-1-ylethyl)-1-methylurea
CID 167968519

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea (CID 119067663) is 1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea is CN(CCn1ccnc1)C(=O)NCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is OEQZJOWTNRVYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-22(9-10-23-8-7-20-12-23)15(24)21-6-5-13-3-2-4-14(11-13)16(17,18)19/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,21,24).
What are the key properties of 1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 340.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 119067663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).